Topic: Exploring 2D Materials Informatics: Materials, Devices, Circuits, and Beyond

Scientific and technological progress is largely driven by innovations in materials science. Since the groundbreaking isolation of graphene in 2004, two-dimensional (2D) atomically thin crystals have emerged as a promising and versatile class of materials, particularly in the field of semiconductors. With exceptional properties such as high mobility, flexibility, and scalability, 2D materials hold immense potential for applications in electronics, photonics, and sensing technologies. However, their widespread adoption faces challenges in efficient characterization, design, and optimization. Recent advancements in computational methods, data-driven approaches, and experimental techniques are offering new pathways to address these challenges and accelerate the development of 2D semiconductors for next-generation devices.

This Special Issue will focus on the intersection of 2D materials and informatics, highlighting innovative applications of computational tools, data-driven strategies, and experimental techniques for the characterization, design, and enhancement of 2D semiconductor materials. Topics covered will include, but are not limited to:

● AI-enabled characterization for 2D materials: Advances in automated techniques for defect detection, morphology analysis, and thickness measurement, computer vision and deep learning (DL);
● Property prediction for 2D semiconductors: AI-drivenmethods for predicting electronic, mechanical, and thermal properties across diverse applications;
● Data-driven design of 2D materials and van der Waals (vdW) heterostructures: Strategies for designing 2D materials and vdW heterostructures with tailored properties, leveraging computational simulations and data-driven optimization;
● ML-optimized devices and circuits: Optimization of 2D material-based devices, circuits, and systems to enhance performance, energy efficiency, and reliability using integrated simulation and AI-assisted design platforms;
● Intelligent sensing systems: The role of 2D materials in next-generation sensing technologies, flexible electronics, and optoelectronic devices enhanced by data-driven insights;
● Integration into multifunctional systems: Leveraging 2D materials for complex, multifunctional devices across electronics, photonics, and beyond, with a focus on AI-enabled system integration and performance enhancement.

We invite original research and reviews that leverage AI/ML paradigms—including federated learning, explainable AI, and physics-informed neural networks—to advance 2D materials from lab-scale curiosities to scalable technologies. Contributions highlighting data-driven co-design of materials, devices, and systems for emerging applications (e.g., neuromorphic computing, quantum photonics, and wearable AI) are particularly encouraged.